(2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

C19H15ClFN3O2 — CID 86267714

IUPAC(2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1noc(C)c1-c1cnc2[nH]cc(C(O)c3c(F)cccc3Cl)c2c1
InChIInChI=1S/C19H15ClFN3O2/c1-9-16(10(2)26-24-9)11-6-12-13(8-23-19(12)22-7-11)18(25)17-14(20)4-3-5-15(17)21/h3-8,18,25H,1-2H3,(H,22,23)
InChIKeyNIEFSVZFUYDMLJ-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.71
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

(2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 86267714) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID86267714
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name(2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1noc(C)c1-c1cnc2[nH]cc(C(O)c3c(F)cccc3Cl)c2c1
InChIInChI=1S/C19H15ClFN3O2/c1-9-16(10(2)26-24-9)11-6-12-13(8-23-19(12)22-7-11)18(25)17-14(20)4-3-5-15(17)21/h3-8,18,25H,1-2H3,(H,22,23)
InChIKeyNIEFSVZFUYDMLJ-UHFFFAOYSA-N
XLogP4.71
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of (2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 86267714) is (2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is Cc1noc(C)c1-c1cnc2[nH]cc(C(O)c3c(F)cccc3Cl)c2c1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is NIEFSVZFUYDMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-9-16(10(2)26-24-9)11-6-12-13(8-23-19(12)22-7-11)18(25)17-14(20)4-3-5-15(17)21/h3-8,18,25H,1-2H3,(H,22,23).
What are the key properties of (2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
(2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 371.80 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 86267714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).